[(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone

C15H25N5O — CID 124696422

IUPAC[(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
SMILESCn1cc(N2CCN(C(=O)[C@H]3CCC[C@H](N)C3)CC2)cn1
InChIInChI=1S/C15H25N5O/c1-18-11-14(10-17-18)19-5-7-20(8-6-19)15(21)12-3-2-4-13(16)9-12/h10-13H,2-9,16H2,1H3/t12-,13-/m0/s1
InChIKeyNCGAZHACCZGYCC-STQMWFEESA-N
MW291.40 g/mol
LogP0.59
Rot. Bonds2

About [(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone

[(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone (PubChem CID 124696422) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is [(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
PubChem CID124696422
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name[(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
SMILESCn1cc(N2CCN(C(=O)[C@H]3CCC[C@H](N)C3)CC2)cn1
InChIInChI=1S/C15H25N5O/c1-18-11-14(10-17-18)19-5-7-20(8-6-19)15(21)12-3-2-4-13(16)9-12/h10-13H,2-9,16H2,1H3/t12-,13-/m0/s1
InChIKeyNCGAZHACCZGYCC-STQMWFEESA-N
XLogP0.59
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone (CID 124696422) is [(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone is Cn1cc(N2CCN(C(=O)[C@H]3CCC[C@H](N)C3)CC2)cn1.
What is the InChIKey of [(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
The InChIKey is NCGAZHACCZGYCC-STQMWFEESA-N. The full InChI is InChI=1S/C15H25N5O/c1-18-11-14(10-17-18)19-5-7-20(8-6-19)15(21)12-3-2-4-13(16)9-12/h10-13H,2-9,16H2,1H3/t12-,13-/m0/s1.
What are the key properties of [(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
[(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone has a molecular weight of 291.40 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 124696422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).