N-[2-(3-methyl-4-propan-2-ylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide

C14H24N4O — CID 170651419

IUPACN-[2-(3-methyl-4-propan-2-ylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCc1nn(CCNC(=O)N2CCCC2)cc1C(C)C
InChIInChI=1S/C14H24N4O/c1-11(2)13-10-18(16-12(13)3)9-6-15-14(19)17-7-4-5-8-17/h10-11H,4-9H2,1-3H3,(H,15,19)
InChIKeyXKVOLTNDEQDDCN-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.12
Rot. Bonds4

About N-[2-(3-methyl-4-propan-2-ylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide

N-[2-(3-methyl-4-propan-2-ylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 170651419) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-(3-methyl-4-propan-2-ylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methyl-4-propan-2-ylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID170651419
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[2-(3-methyl-4-propan-2-ylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCc1nn(CCNC(=O)N2CCCC2)cc1C(C)C
InChIInChI=1S/C14H24N4O/c1-11(2)13-10-18(16-12(13)3)9-6-15-14(19)17-7-4-5-8-17/h10-11H,4-9H2,1-3H3,(H,15,19)
InChIKeyXKVOLTNDEQDDCN-UHFFFAOYSA-N
XLogP2.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide
CID 79162037
N-[2-[3-(3-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155529255
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 115688654
N-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 113238079
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide
CID 115575262
N-(2-pyrrol-1-ylethyl)azocane-1-carboxamide
CID 122566086
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 115665281
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azepane-1-carboxamide
CID 115584088
N-[2-(4-propan-2-ylphenoxy)ethyl]azepane-1-carboxamide
CID 112972579
N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-carboxamide
CID 104593868
N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide
CID 115583768
N-[3-(1,2,4-triazol-1-yl)propyl]azepane-1-carboxamide
CID 53498860

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-4-propan-2-ylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(3-methyl-4-propan-2-ylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide (CID 170651419) is N-[2-(3-methyl-4-propan-2-ylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-methyl-4-propan-2-ylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(3-methyl-4-propan-2-ylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide is Cc1nn(CCNC(=O)N2CCCC2)cc1C(C)C.
What is the InChIKey of N-[2-(3-methyl-4-propan-2-ylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is XKVOLTNDEQDDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(2)13-10-18(16-12(13)3)9-6-15-14(19)17-7-4-5-8-17/h10-11H,4-9H2,1-3H3,(H,15,19).
What are the key properties of N-[2-(3-methyl-4-propan-2-ylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
N-[2-(3-methyl-4-propan-2-ylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-4-propan-2-ylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 170651419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).