(2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide

C26H31N5O — CID 30636587

IUPAC(2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CC1)N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C26H31N5O/c1-20(26(32)27-23-12-13-23)30-16-14-29(15-17-30)18-22-19-31(24-10-6-3-7-11-24)28-25(22)21-8-4-2-5-9-21/h2-11,19-20,23H,12-18H2,1H3,(H,27,32)/t20-/m0/s1
InChIKeyOIIBSDROQVYSPS-FQEVSTJZSA-N
MW429.57 g/mol
LogP3.32
Rot. Bonds7

About (2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide

(2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 30636587) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide
PubChem CID30636587
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name(2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CC1)N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C26H31N5O/c1-20(26(32)27-23-12-13-23)30-16-14-29(15-17-30)18-22-19-31(24-10-6-3-7-11-24)28-25(22)21-8-4-2-5-9-21/h2-11,19-20,23H,12-18H2,1H3,(H,27,32)/t20-/m0/s1
InChIKeyOIIBSDROQVYSPS-FQEVSTJZSA-N
XLogP3.32
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047076
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46514218
4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 78818653
1-[4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 31310608
4-[2-(cyclopropylamino)-2-oxoethyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 112832270
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide
CID 43043050
(3S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163078
(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163079
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
(2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 94669702

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide (CID 30636587) is (2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide is C[C@@H](C(=O)NC1CC1)N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is OIIBSDROQVYSPS-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H31N5O/c1-20(26(32)27-23-12-13-23)30-16-14-29(15-17-30)18-22-19-31(24-10-6-3-7-11-24)28-25(22)21-8-4-2-5-9-21/h2-11,19-20,23H,12-18H2,1H3,(H,27,32)/t20-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide?
(2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 429.57 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 30636587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).