N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(5-methyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide

C14H20N6O — CID 139451895

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-3-(5-methyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1[nH]ncc1C1CCN(C(=O)N[C@@H]2CCN(C#N)C2)C1
InChIInChI=1S/C14H20N6O/c1-10-13(6-16-18-10)11-2-5-20(7-11)14(21)17-12-3-4-19(8-12)9-15/h6,11-12H,2-5,7-8H2,1H3,(H,16,18)(H,17,21)/t11?,12-/m1/s1
InChIKeyOCXYEFKXUVHKSP-PIJUOVFKSA-N
MW288.35 g/mol
LogP0.77
Rot. Bonds2

About N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(5-methyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(5-methyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 139451895) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(5-methyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-3-(5-methyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID139451895
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-3-(5-methyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1[nH]ncc1C1CCN(C(=O)N[C@@H]2CCN(C#N)C2)C1
InChIInChI=1S/C14H20N6O/c1-10-13(6-16-18-10)11-2-5-20(7-11)14(21)17-12-3-4-19(8-12)9-15/h6,11-12H,2-5,7-8H2,1H3,(H,16,18)(H,17,21)/t11?,12-/m1/s1
InChIKeyOCXYEFKXUVHKSP-PIJUOVFKSA-N
XLogP0.77
TPSA88.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide
CID 122590666
cis-(1S,2R)-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 167872863
(1-cyanopyrrolidin-3-yl)carbamic acid
CID 91325257
N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-4-(5-methyl-1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 166188850
N-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide
CID 134363678
N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97066371
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 71918106
5-methyl-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-4-carboxamide
CID 63997254
N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide
CID 112687931
N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 122590866
N-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-3-phenylazetidine-1-carboxamide;N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-3-phenylazetidine-1-carboxamide
CID 158443838
(4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
CID 154846097

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(5-methyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(5-methyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide (CID 139451895) is N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(5-methyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(5-methyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(5-methyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide is Cc1[nH]ncc1C1CCN(C(=O)N[C@@H]2CCN(C#N)C2)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(5-methyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is OCXYEFKXUVHKSP-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10-13(6-16-18-10)11-2-5-20(7-11)14(21)17-12-3-4-19(8-12)9-15/h6,11-12H,2-5,7-8H2,1H3,(H,16,18)(H,17,21)/t11?,12-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(5-methyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(5-methyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(5-methyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 139451895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).