3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide

C20H23N5O2 — CID 97149838

IUPAC3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)NC[C@H]2CN(c3ccccc3)CCO2)[nH]n1
InChIInChI=1S/C20H23N5O2/c1-24-9-5-8-19(24)17-12-18(23-22-17)20(26)21-13-16-14-25(10-11-27-16)15-6-3-2-4-7-15/h2-9,12,16H,10-11,13-14H2,1H3,(H,21,26)(H,22,23)/t16-/m0/s1
InChIKeyUIQRMLIIQKFSPN-INIZCTEOSA-N
MW365.44 g/mol
LogP2.05
Rot. Bonds5

About 3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide

3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 97149838) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID97149838
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)NC[C@H]2CN(c3ccccc3)CCO2)[nH]n1
InChIInChI=1S/C20H23N5O2/c1-24-9-5-8-19(24)17-12-18(23-22-17)20(26)21-13-16-14-25(10-11-27-16)15-6-3-2-4-7-15/h2-9,12,16H,10-11,13-14H2,1H3,(H,21,26)(H,22,23)/t16-/m0/s1
InChIKeyUIQRMLIIQKFSPN-INIZCTEOSA-N
XLogP2.05
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide
CID 95726375
4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid
CID 56908982
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
2-(3-fluorophenyl)-N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 110710034
[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 97132778
N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 91909626
3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 70772071
N-(3-benzylsulfanylpropyl)-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 131935860
3-(4-bromophenyl)-N-[(4-cyclopropylmorpholin-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 86953679
(2S)-2-amino-2-phenyl-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]acetamide
CID 69280674
2,2-dimethyl-N-[2-(4-phenylmorpholin-2-yl)ethyl]propanamide
CID 110709813
3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70755650

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide (CID 97149838) is 3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide is Cn1cccc1-c1cc(C(=O)NC[C@H]2CN(c3ccccc3)CCO2)[nH]n1.
What is the InChIKey of 3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UIQRMLIIQKFSPN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-24-9-5-8-19(24)17-12-18(23-22-17)20(26)21-13-16-14-25(10-11-27-16)15-6-3-2-4-7-15/h2-9,12,16H,10-11,13-14H2,1H3,(H,21,26)(H,22,23)/t16-/m0/s1.
What are the key properties of 3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide?
3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 97149838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).