N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H18N6O — CID 50975978

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)N(C)Cc3cc(C4CC4)n[nH]3)cnn2c1
InChIInChI=1S/C16H18N6O/c1-10-6-17-15-13(7-18-22(15)8-10)16(23)21(2)9-12-5-14(20-19-12)11-3-4-11/h5-8,11H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyAMPZGFBHKRFETO-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.91
Rot. Bonds4

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 50975978) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID50975978
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)N(C)Cc3cc(C4CC4)n[nH]3)cnn2c1
InChIInChI=1S/C16H18N6O/c1-10-6-17-15-13(7-18-22(15)8-10)16(23)21(2)9-12-5-14(20-19-12)11-3-4-11/h5-8,11H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyAMPZGFBHKRFETO-UHFFFAOYSA-N
XLogP1.91
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 50975978) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)N(C)Cc3cc(C4CC4)n[nH]3)cnn2c1.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AMPZGFBHKRFETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-10-6-17-15-13(7-18-22(15)8-10)16(23)21(2)9-12-5-14(20-19-12)11-3-4-11/h5-8,11H,3-4,9H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 50975978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).