N-methyl-N-(1H-pyrazol-5-ylmethyl)-2-pyrrolidin-1-ylbutanamide

C13H22N4O — CID 90651113

IUPACN-methyl-N-(1H-pyrazol-5-ylmethyl)-2-pyrrolidin-1-ylbutanamide
SMILESCCC(C(=O)N(C)Cc1ccn[nH]1)N1CCCC1
InChIInChI=1S/C13H22N4O/c1-3-12(17-8-4-5-9-17)13(18)16(2)10-11-6-7-14-15-11/h6-7,12H,3-5,8-10H2,1-2H3,(H,14,15)
InChIKeyQJCMOCOSJQYORY-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.24
Rot. Bonds5

About N-methyl-N-(1H-pyrazol-5-ylmethyl)-2-pyrrolidin-1-ylbutanamide

N-methyl-N-(1H-pyrazol-5-ylmethyl)-2-pyrrolidin-1-ylbutanamide (PubChem CID 90651113) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-methyl-N-(1H-pyrazol-5-ylmethyl)-2-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-methyl-N-(1H-pyrazol-5-ylmethyl)-2-pyrrolidin-1-ylbutanamide
PubChem CID90651113
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-methyl-N-(1H-pyrazol-5-ylmethyl)-2-pyrrolidin-1-ylbutanamide
SMILESCCC(C(=O)N(C)Cc1ccn[nH]1)N1CCCC1
InChIInChI=1S/C13H22N4O/c1-3-12(17-8-4-5-9-17)13(18)16(2)10-11-6-7-14-15-11/h6-7,12H,3-5,8-10H2,1-2H3,(H,14,15)
InChIKeyQJCMOCOSJQYORY-UHFFFAOYSA-N
XLogP1.24
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-pyrazol-5-ylmethyl)-2-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-methyl-N-(1H-pyrazol-5-ylmethyl)-2-pyrrolidin-1-ylbutanamide (CID 90651113) is N-methyl-N-(1H-pyrazol-5-ylmethyl)-2-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-methyl-N-(1H-pyrazol-5-ylmethyl)-2-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-methyl-N-(1H-pyrazol-5-ylmethyl)-2-pyrrolidin-1-ylbutanamide is CCC(C(=O)N(C)Cc1ccn[nH]1)N1CCCC1.
What is the InChIKey of N-methyl-N-(1H-pyrazol-5-ylmethyl)-2-pyrrolidin-1-ylbutanamide?
The InChIKey is QJCMOCOSJQYORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-12(17-8-4-5-9-17)13(18)16(2)10-11-6-7-14-15-11/h6-7,12H,3-5,8-10H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-N-(1H-pyrazol-5-ylmethyl)-2-pyrrolidin-1-ylbutanamide?
N-methyl-N-(1H-pyrazol-5-ylmethyl)-2-pyrrolidin-1-ylbutanamide has a molecular weight of 250.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-pyrazol-5-ylmethyl)-2-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 90651113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).