5-amino-N-[5-(difluoromethyl)-1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H17F2N7O2 — CID 162464968

IUPAC5-amino-N-[5-(difluoromethyl)-1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1ccn2ncc(C(=O)Nc3cnn(CCCCO)c3C(F)F)c2n1
InChIInChI=1S/C15H17F2N7O2/c16-13(17)12-10(8-20-23(12)4-1-2-6-25)21-15(26)9-7-19-24-5-3-11(18)22-14(9)24/h3,5,7-8,13,25H,1-2,4,6H2,(H2,18,22)(H,21,26)
InChIKeyLUQCATCBLFKQKZ-UHFFFAOYSA-N
MW365.34 g/mol
LogP1.47
Rot. Bonds7

About 5-amino-N-[5-(difluoromethyl)-1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-amino-N-[5-(difluoromethyl)-1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 162464968) has the molecular formula C15H17F2N7O2 and a molecular weight of 365.34 g/mol. Its IUPAC name is 5-amino-N-[5-(difluoromethyl)-1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-(difluoromethyl)-1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID162464968
Molecular FormulaC15H17F2N7O2
Molecular Weight365.34 g/mol
Exact Mass365.14
IUPAC Name5-amino-N-[5-(difluoromethyl)-1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1ccn2ncc(C(=O)Nc3cnn(CCCCO)c3C(F)F)c2n1
InChIInChI=1S/C15H17F2N7O2/c16-13(17)12-10(8-20-23(12)4-1-2-6-25)21-15(26)9-7-19-24-5-3-11(18)22-14(9)24/h3,5,7-8,13,25H,1-2,4,6H2,(H2,18,22)(H,21,26)
InChIKeyLUQCATCBLFKQKZ-UHFFFAOYSA-N
XLogP1.47
TPSA123.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155274104
5-amino-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145153105
methyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]benzoate
CID 162464944
5-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158632830
5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145153222
5-amino-N-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66676727
5-amino-N-[3-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063121
5-amino-N-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclohexane;1,1-difluoropropan-1-amine
CID 145153098
5-amino-N-[2-(5-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063103
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155274061
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599617
N-[1-[2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-5-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 140717756

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-(difluoromethyl)-1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-amino-N-[5-(difluoromethyl)-1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 162464968) is 5-amino-N-[5-(difluoromethyl)-1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[5-(difluoromethyl)-1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-amino-N-[5-(difluoromethyl)-1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1ccn2ncc(C(=O)Nc3cnn(CCCCO)c3C(F)F)c2n1.
What is the InChIKey of 5-amino-N-[5-(difluoromethyl)-1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LUQCATCBLFKQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N7O2/c16-13(17)12-10(8-20-23(12)4-1-2-6-25)21-15(26)9-7-19-24-5-3-11(18)22-14(9)24/h3,5,7-8,13,25H,1-2,4,6H2,(H2,18,22)(H,21,26).
What are the key properties of 5-amino-N-[5-(difluoromethyl)-1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-amino-N-[5-(difluoromethyl)-1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 365.34 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-(difluoromethyl)-1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 162464968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).