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

C18H15ClN6O2 — CID 70496681

IUPACN-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(Cl)cc1-c1[nH]ncc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C18H15ClN6O2/c1-2-27-15-5-4-11(19)8-12(15)16-14(10-21-24-16)23-18(26)13-9-22-25-7-3-6-20-17(13)25/h3-10H,2H2,1H3,(H,21,24)(H,23,26)
InChIKeyUBPGCPQRWLWGRR-UHFFFAOYSA-N
MW382.81 g/mol
LogP3.42
Rot. Bonds5

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

N-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70496681) has the molecular formula C18H15ClN6O2 and a molecular weight of 382.81 g/mol. Its IUPAC name is N-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70496681
Molecular FormulaC18H15ClN6O2
Molecular Weight382.81 g/mol
Exact Mass382.09
IUPAC NameN-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(Cl)cc1-c1[nH]ncc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C18H15ClN6O2/c1-2-27-15-5-4-11(19)8-12(15)16-14(10-21-24-16)23-18(26)13-9-22-25-7-3-6-20-17(13)25/h3-10H,2H2,1H3,(H,21,24)(H,23,26)
InChIKeyUBPGCPQRWLWGRR-UHFFFAOYSA-N
XLogP3.42
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[1-(1-amino-1-oxopropan-2-yl)-3-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70496681) is N-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1ccc(Cl)cc1-c1[nH]ncc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UBPGCPQRWLWGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O2/c1-2-27-15-5-4-11(19)8-12(15)16-14(10-21-24-16)23-18(26)13-9-22-25-7-3-6-20-17(13)25/h3-10H,2H2,1H3,(H,21,24)(H,23,26).
What are the key properties of N-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 382.81 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70496681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).