N-(cyclopropylmethyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H23N5O2 — CID 137251677

IUPACN-(cyclopropylmethyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(CC1CC1)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C17H23N5O2/c1-21(10-11-2-3-11)17(24)13-9-19-22-14(8-15(23)20-16(13)22)12-4-6-18-7-5-12/h8-9,11-12,18H,2-7,10H2,1H3,(H,20,23)
InChIKeyPYUMXKYRKMGFQD-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.97
Rot. Bonds4

About N-(cyclopropylmethyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(cyclopropylmethyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137251677) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137251677
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-(cyclopropylmethyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(CC1CC1)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C17H23N5O2/c1-21(10-11-2-3-11)17(24)13-9-19-22-14(8-15(23)20-16(13)22)12-4-6-18-7-5-12/h8-9,11-12,18H,2-7,10H2,1H3,(H,20,23)
InChIKeyPYUMXKYRKMGFQD-UHFFFAOYSA-N
XLogP0.97
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137251677) is N-(cyclopropylmethyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(CC1CC1)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PYUMXKYRKMGFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21(10-11-2-3-11)17(24)13-9-19-22-14(8-15(23)20-16(13)22)12-4-6-18-7-5-12/h8-9,11-12,18H,2-7,10H2,1H3,(H,20,23).
What are the key properties of N-(cyclopropylmethyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(cyclopropylmethyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137251677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).