N-[3-(5-chloro-2-ethoxyphenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H25ClN6O3 — CID 70498465

IUPACN-[3-(5-chloro-2-ethoxyphenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(Cl)cc1-c1nn([C@H]2CCCC[C@@H]2O)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C24H25ClN6O3/c1-2-34-21-9-8-15(25)12-16(21)22-18(14-31(29-22)19-6-3-4-7-20(19)32)28-24(33)17-13-27-30-11-5-10-26-23(17)30/h5,8-14,19-20,32H,2-4,6-7H2,1H3,(H,28,33)/t19-,20-/m0/s1
InChIKeyKYALABLULOMGIM-PMACEKPBSA-N
MW480.96 g/mol
LogP4.37
Rot. Bonds6

About N-[3-(5-chloro-2-ethoxyphenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(5-chloro-2-ethoxyphenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70498465) has the molecular formula C24H25ClN6O3 and a molecular weight of 480.96 g/mol. Its IUPAC name is N-[3-(5-chloro-2-ethoxyphenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-ethoxyphenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70498465
Molecular FormulaC24H25ClN6O3
Molecular Weight480.96 g/mol
Exact Mass480.17
IUPAC NameN-[3-(5-chloro-2-ethoxyphenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(Cl)cc1-c1nn([C@H]2CCCC[C@@H]2O)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C24H25ClN6O3/c1-2-34-21-9-8-15(25)12-16(21)22-18(14-31(29-22)19-6-3-4-7-20(19)32)28-24(33)17-13-27-30-11-5-10-26-23(17)30/h5,8-14,19-20,32H,2-4,6-7H2,1H3,(H,28,33)/t19-,20-/m0/s1
InChIKeyKYALABLULOMGIM-PMACEKPBSA-N
XLogP4.37
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-ethoxyphenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(5-chloro-2-ethoxyphenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70498465) is N-[3-(5-chloro-2-ethoxyphenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(5-chloro-2-ethoxyphenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(5-chloro-2-ethoxyphenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1ccc(Cl)cc1-c1nn([C@H]2CCCC[C@@H]2O)cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[3-(5-chloro-2-ethoxyphenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KYALABLULOMGIM-PMACEKPBSA-N. The full InChI is InChI=1S/C24H25ClN6O3/c1-2-34-21-9-8-15(25)12-16(21)22-18(14-31(29-22)19-6-3-4-7-20(19)32)28-24(33)17-13-27-30-11-5-10-26-23(17)30/h5,8-14,19-20,32H,2-4,6-7H2,1H3,(H,28,33)/t19-,20-/m0/s1.
What are the key properties of N-[3-(5-chloro-2-ethoxyphenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(5-chloro-2-ethoxyphenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 480.96 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-ethoxyphenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70498465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).