N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide

C14H18ClN5O — CID 19591021

IUPACN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESCc1nn(CCNC(=O)c2cc(C3CC3)[nH]n2)c(C)c1Cl
InChIInChI=1S/C14H18ClN5O/c1-8-13(15)9(2)20(19-8)6-5-16-14(21)12-7-11(17-18-12)10-3-4-10/h7,10H,3-6H2,1-2H3,(H,16,21)(H,17,18)
InChIKeyHHCAXJUKOKZZQI-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.18
Rot. Bonds5

About N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 19591021) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID19591021
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESCc1nn(CCNC(=O)c2cc(C3CC3)[nH]n2)c(C)c1Cl
InChIInChI=1S/C14H18ClN5O/c1-8-13(15)9(2)20(19-8)6-5-16-14(21)12-7-11(17-18-12)10-3-4-10/h7,10H,3-6H2,1-2H3,(H,16,21)(H,17,18)
InChIKeyHHCAXJUKOKZZQI-UHFFFAOYSA-N
XLogP2.18
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Kdm5A-IN-1
CID 119081409
N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
CID 129606887
US10022354, Example 151
CID 132054530
N-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-chloro-1-methyl-1H-pyrazole-5-carboxamide
CID 843652
US10022354, Example 23
CID 121279559
US10022354, Example 206
CID 121279650
US10022354, Example 130
CID 121279747
US10022354, Example 175
CID 132070208
US10022354, Example 208
CID 132070224
US10022354, Example 233
CID 121279654
3-cyclopropyl-N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 50977428
5-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 72121252

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 19591021) is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide is Cc1nn(CCNC(=O)c2cc(C3CC3)[nH]n2)c(C)c1Cl.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is HHCAXJUKOKZZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-8-13(15)9(2)20(19-8)6-5-16-14(21)12-7-11(17-18-12)10-3-4-10/h7,10H,3-6H2,1-2H3,(H,16,21)(H,17,18).
What are the key properties of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 307.79 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19591021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).