N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H21N5O2 — CID 58056234

IUPACN-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(CO)ccc1N1CCCCC1)c1cnn2cccnc12
InChIInChI=1S/C19H21N5O2/c25-13-14-5-6-17(23-8-2-1-3-9-23)16(11-14)22-19(26)15-12-21-24-10-4-7-20-18(15)24/h4-7,10-12,25H,1-3,8-9,13H2,(H,22,26)
InChIKeyMXNMTBQJCNFDNU-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.46
Rot. Bonds4

About N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58056234) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58056234
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(CO)ccc1N1CCCCC1)c1cnn2cccnc12
InChIInChI=1S/C19H21N5O2/c25-13-14-5-6-17(23-8-2-1-3-9-23)16(11-14)22-19(26)15-12-21-24-10-4-7-20-18(15)24/h4-7,10-12,25H,1-3,8-9,13H2,(H,22,26)
InChIKeyMXNMTBQJCNFDNU-UHFFFAOYSA-N
XLogP2.46
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58056234) is N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc(CO)ccc1N1CCCCC1)c1cnn2cccnc12.
What is the InChIKey of N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MXNMTBQJCNFDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-13-14-5-6-17(23-8-2-1-3-9-23)16(11-14)22-19(26)15-12-21-24-10-4-7-20-18(15)24/h4-7,10-12,25H,1-3,8-9,13H2,(H,22,26).
What are the key properties of N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58056234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).