(2S,3S)-2,3,4-trimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide

C15H27N5O — CID 97308171

IUPAC(2S,3S)-2,3,4-trimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)N1CCN(C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C15H27N5O/c1-11-14(10-17-18-11)6-5-7-16-15(21)20-9-8-19(4)12(2)13(20)3/h10,12-13H,5-9H2,1-4H3,(H,16,21)(H,17,18)/t12-,13-/m0/s1
InChIKeyMRWRIUNMJVPLOK-STQMWFEESA-N
MW293.41 g/mol
LogP1.38
Rot. Bonds4

About (2S,3S)-2,3,4-trimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide

(2S,3S)-2,3,4-trimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide (PubChem CID 97308171) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is (2S,3S)-2,3,4-trimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2,3,4-trimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide
PubChem CID97308171
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name(2S,3S)-2,3,4-trimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)N1CCN(C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C15H27N5O/c1-11-14(10-17-18-11)6-5-7-16-15(21)20-9-8-19(4)12(2)13(20)3/h10,12-13H,5-9H2,1-4H3,(H,16,21)(H,17,18)/t12-,13-/m0/s1
InChIKeyMRWRIUNMJVPLOK-STQMWFEESA-N
XLogP1.38
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-methyl-1H-pyrazol-4-yl)piperidine
CID 82414450
4-acetyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide
CID 53505081
1-(1-acetylpiperidin-4-yl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 53505690
4-(2-amino-2-oxoethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboxamide
CID 53510163
4-acetyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,4-diazepane-1-carboxamide
CID 53517040
2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboxamide
CID 53529605
1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide
CID 71894156
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 72022860
cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 73439424
1-[2-(methanesulfonamido)ethyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 47247770
N-(methylcarbamoyl)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 51104649
3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 54593500

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3,4-trimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide?
The IUPAC name of (2S,3S)-2,3,4-trimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide (CID 97308171) is (2S,3S)-2,3,4-trimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for (2S,3S)-2,3,4-trimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide?
The canonical SMILES for (2S,3S)-2,3,4-trimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide is Cc1[nH]ncc1CCCNC(=O)N1CCN(C)[C@@H](C)[C@@H]1C.
What is the InChIKey of (2S,3S)-2,3,4-trimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide?
The InChIKey is MRWRIUNMJVPLOK-STQMWFEESA-N. The full InChI is InChI=1S/C15H27N5O/c1-11-14(10-17-18-11)6-5-7-16-15(21)20-9-8-19(4)12(2)13(20)3/h10,12-13H,5-9H2,1-4H3,(H,16,21)(H,17,18)/t12-,13-/m0/s1.
What are the key properties of (2S,3S)-2,3,4-trimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide?
(2S,3S)-2,3,4-trimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3,4-trimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 97308171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).