5-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide

C21H29N5O — CID 25265379

IUPAC5-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2C)n[nH]1
InChIInChI=1S/C21H29N5O/c1-14-11-17(25-10-8-18(13-25)26-9-4-5-16(26)3)6-7-19(14)22-21(27)20-12-15(2)23-24-20/h6-7,11-12,16,18H,4-5,8-10,13H2,1-3H3,(H,22,27)(H,23,24)/t16-,18-/m0/s1
InChIKeyMAVCXANXGDWPJD-WMZOPIPTSA-N
MW367.50 g/mol
LogP3.34
Rot. Bonds4

About 5-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide

5-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 25265379) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide
PubChem CID25265379
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name5-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2C)n[nH]1
InChIInChI=1S/C21H29N5O/c1-14-11-17(25-10-8-18(13-25)26-9-4-5-16(26)3)6-7-19(14)22-21(27)20-12-15(2)23-24-20/h6-7,11-12,16,18H,4-5,8-10,13H2,1-3H3,(H,22,27)(H,23,24)/t16-,18-/m0/s1
InChIKeyMAVCXANXGDWPJD-WMZOPIPTSA-N
XLogP3.34
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide (CID 25265379) is 5-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2C)n[nH]1.
What is the InChIKey of 5-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is MAVCXANXGDWPJD-WMZOPIPTSA-N. The full InChI is InChI=1S/C21H29N5O/c1-14-11-17(25-10-8-18(13-25)26-9-4-5-16(26)3)6-7-19(14)22-21(27)20-12-15(2)23-24-20/h6-7,11-12,16,18H,4-5,8-10,13H2,1-3H3,(H,22,27)(H,23,24)/t16-,18-/m0/s1.
What are the key properties of 5-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide?
5-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 25265379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).