N-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H20N4O2 — CID 110895303

IUPACN-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C19H20N4O2/c24-15-8-6-14(7-9-15)22-19(25)16-12-21-23-17(10-11-20-18(16)23)13-4-2-1-3-5-13/h1-5,10-12,14-15,24H,6-9H2,(H,22,25)
InChIKeyQWORPCURYOLIFA-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.43
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110895303) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110895303
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC NameN-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C19H20N4O2/c24-15-8-6-14(7-9-15)22-19(25)16-12-21-23-17(10-11-20-18(16)23)13-4-2-1-3-5-13/h1-5,10-12,14-15,24H,6-9H2,(H,22,25)
InChIKeyQWORPCURYOLIFA-UHFFFAOYSA-N
XLogP2.43
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110895303) is N-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCC(O)CC1)c1cnn2c(-c3ccccc3)ccnc12.
What is the InChIKey of N-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QWORPCURYOLIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-15-8-6-14(7-9-15)22-19(25)16-12-21-23-17(10-11-20-18(16)23)13-4-2-1-3-5-13/h1-5,10-12,14-15,24H,6-9H2,(H,22,25).
What are the key properties of N-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110895303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).