4-bromo-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-5-ethyl-1H-pyrazole-3-carboxamide

C15H24BrN3O2 — CID 164639868

IUPAC4-bromo-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N[C@@H](CCO)C2CCCCC2)c1Br
InChIInChI=1S/C15H24BrN3O2/c1-2-11-13(16)14(19-18-11)15(21)17-12(8-9-20)10-6-4-3-5-7-10/h10,12,20H,2-9H2,1H3,(H,17,21)(H,18,19)/t12-/m0/s1
InChIKeyRLWGUQUDSBKSDB-LBPRGKRZSA-N
MW358.28 g/mol
LogP2.80
Rot. Bonds6

About 4-bromo-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-5-ethyl-1H-pyrazole-3-carboxamide

4-bromo-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 164639868) has the molecular formula C15H24BrN3O2 and a molecular weight of 358.28 g/mol. Its IUPAC name is 4-bromo-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID164639868
Molecular FormulaC15H24BrN3O2
Molecular Weight358.28 g/mol
Exact Mass357.11
IUPAC Name4-bromo-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N[C@@H](CCO)C2CCCCC2)c1Br
InChIInChI=1S/C15H24BrN3O2/c1-2-11-13(16)14(19-18-11)15(21)17-12(8-9-20)10-6-4-3-5-7-10/h10,12,20H,2-9H2,1H3,(H,17,21)(H,18,19)/t12-/m0/s1
InChIKeyRLWGUQUDSBKSDB-LBPRGKRZSA-N
XLogP2.80
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-5-ethyl-1H-pyrazole-3-carboxamide (CID 164639868) is 4-bromo-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-5-ethyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N[C@@H](CCO)C2CCCCC2)c1Br.
What is the InChIKey of 4-bromo-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is RLWGUQUDSBKSDB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24BrN3O2/c1-2-11-13(16)14(19-18-11)15(21)17-12(8-9-20)10-6-4-3-5-7-10/h10,12,20H,2-9H2,1H3,(H,17,21)(H,18,19)/t12-/m0/s1.
What are the key properties of 4-bromo-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-5-ethyl-1H-pyrazole-3-carboxamide?
4-bromo-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 358.28 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 164639868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).