N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19N5O4 — CID 58056158

IUPACN-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(C(=O)NCCCO)ccc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C18H19N5O4/c1-27-15-10-12(17(25)20-7-3-9-24)4-5-14(15)22-18(26)13-11-21-23-8-2-6-19-16(13)23/h2,4-6,8,10-11,24H,3,7,9H2,1H3,(H,20,25)(H,22,26)
InChIKeyJHLYAVTYXUBFLO-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.10
Rot. Bonds7

About N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58056158) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58056158
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC NameN-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(C(=O)NCCCO)ccc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C18H19N5O4/c1-27-15-10-12(17(25)20-7-3-9-24)4-5-14(15)22-18(26)13-11-21-23-8-2-6-19-16(13)23/h2,4-6,8,10-11,24H,3,7,9H2,1H3,(H,20,25)(H,22,26)
InChIKeyJHLYAVTYXUBFLO-UHFFFAOYSA-N
XLogP1.10
TPSA117.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58056158) is N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(C(=O)NCCCO)ccc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JHLYAVTYXUBFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-27-15-10-12(17(25)20-7-3-9-24)4-5-14(15)22-18(26)13-11-21-23-8-2-6-19-16(13)23/h2,4-6,8,10-11,24H,3,7,9H2,1H3,(H,20,25)(H,22,26).
What are the key properties of N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58056158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).