N-[3-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H33N7O — CID 66556626

IUPACN-[3-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCN(C4CCCCC4)CC3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C28H33N7O/c1-20-8-10-23(11-9-20)35-26(31-28(36)24-19-30-34-15-5-14-29-27(24)34)18-25(32-35)21-12-16-33(17-13-21)22-6-3-2-4-7-22/h5,8-11,14-15,18-19,21-22H,2-4,6-7,12-13,16-17H2,1H3,(H,31,36)
InChIKeyHUXQDEBKSBWFAQ-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.99
Rot. Bonds5

About N-[3-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66556626) has the molecular formula C28H33N7O and a molecular weight of 483.62 g/mol. Its IUPAC name is N-[3-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66556626
Molecular FormulaC28H33N7O
Molecular Weight483.62 g/mol
Exact Mass483.27
IUPAC NameN-[3-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCN(C4CCCCC4)CC3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C28H33N7O/c1-20-8-10-23(11-9-20)35-26(31-28(36)24-19-30-34-15-5-14-29-27(24)34)18-25(32-35)21-12-16-33(17-13-21)22-6-3-2-4-7-22/h5,8-11,14-15,18-19,21-22H,2-4,6-7,12-13,16-17H2,1H3,(H,31,36)
InChIKeyHUXQDEBKSBWFAQ-UHFFFAOYSA-N
XLogP4.99
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66556626) is N-[3-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(C3CCN(C4CCCCC4)CC3)cc2NC(=O)c2cnn3cccnc23)cc1.
What is the InChIKey of N-[3-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HUXQDEBKSBWFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O/c1-20-8-10-23(11-9-20)35-26(31-28(36)24-19-30-34-15-5-14-29-27(24)34)18-25(32-35)21-12-16-33(17-13-21)22-6-3-2-4-7-22/h5,8-11,14-15,18-19,21-22H,2-4,6-7,12-13,16-17H2,1H3,(H,31,36).
What are the key properties of N-[3-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66556626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).