N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H25N5O — CID 123484761

IUPACN-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)CN1CCC(CNC(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C17H25N5O/c1-13(2)12-21-8-4-14(5-9-21)10-19-17(23)15-11-20-22-7-3-6-18-16(15)22/h3,6-7,11,13-14H,4-5,8-10,12H2,1-2H3,(H,19,23)
InChIKeyCNZLTEBWHSOPTK-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.83
Rot. Bonds5

About N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 123484761) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID123484761
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)CN1CCC(CNC(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C17H25N5O/c1-13(2)12-21-8-4-14(5-9-21)10-19-17(23)15-11-20-22-7-3-6-18-16(15)22/h3,6-7,11,13-14H,4-5,8-10,12H2,1-2H3,(H,19,23)
InChIKeyCNZLTEBWHSOPTK-UHFFFAOYSA-N
XLogP1.83
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]pyrrolidin-2-yl]acetate
CID 165422476
N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95274740
N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136567610
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 128989490
1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 146136440
N-[6-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284577
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95275467
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 100537133
6-(cyclopropylamino)-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 29028030
6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 29028028
[(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 129369364
N-[[1-[4-chloro-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)phenyl]piperidin-4-yl]methyl]-methylboronamidic acid
CID 58056104

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 123484761) is N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)CN1CCC(CNC(=O)c2cnn3cccnc23)CC1.
What is the InChIKey of N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CNZLTEBWHSOPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13(2)12-21-8-4-14(5-9-21)10-19-17(23)15-11-20-22-7-3-6-18-16(15)22/h3,6-7,11,13-14H,4-5,8-10,12H2,1-2H3,(H,19,23).
What are the key properties of N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 123484761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).