N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide

C12H18N4O2 — CID 146364073

IUPACN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
SMILESCn1[nH]c(=O)cc1C(=O)N[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C12H18N4O2/c1-15-10(6-11(17)14-15)12(18)13-8-4-5-16(7-8)9-2-3-9/h6,8-9H,2-5,7H2,1H3,(H,13,18)(H,14,17)/t8-/m0/s1
InChIKeyMVOOYFMGILHGLY-QMMMGPOBSA-N
MW250.30 g/mol
LogP-0.32
Rot. Bonds3

About N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide

N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide (PubChem CID 146364073) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
PubChem CID146364073
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
SMILESCn1[nH]c(=O)cc1C(=O)N[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C12H18N4O2/c1-15-10(6-11(17)14-15)12(18)13-8-4-5-16(7-8)9-2-3-9/h6,8-9H,2-5,7H2,1H3,(H,13,18)(H,14,17)/t8-/m0/s1
InChIKeyMVOOYFMGILHGLY-QMMMGPOBSA-N
XLogP-0.32
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-1-methyl-N-(piperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 132227815
N-cyclopentyl-N,2-dimethyl-5-oxo-1H-pyrazole-3-carboxamide
CID 118690580
N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 130365401
N-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 130365402
N-[(3S,4S)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 130375856
N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 130375857
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 53514607
N-{(3S*,4R*)-1-[(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)carbonyl]-4-propyl-3-pyrrolidinyl}acetamide
CID 70782521
5-(1,4-diazepane-1-carbonyl)-2-methyl-1H-pyrazol-3-one
CID 83891792
5-(1,4-diazepane-1-carbonyl)-2-ethyl-1H-pyrazol-3-one
CID 83898093
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydropyrazole-3-carboxamide
CID 108466306
N-[3-(diethylamino)propyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 108466362

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide (CID 146364073) is N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide is Cn1[nH]c(=O)cc1C(=O)N[C@H]1CCN(C2CC2)C1.
What is the InChIKey of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide?
The InChIKey is MVOOYFMGILHGLY-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15-10(6-11(17)14-15)12(18)13-8-4-5-16(7-8)9-2-3-9/h6,8-9H,2-5,7H2,1H3,(H,13,18)(H,14,17)/t8-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide?
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 146364073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).