1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea

C13H23N5O — CID 71893202

IUPAC1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea
SMILESCCC(CNC(=O)NCc1ccn[nH]1)N1CCCC1
InChIInChI=1S/C13H23N5O/c1-2-12(18-7-3-4-8-18)10-15-13(19)14-9-11-5-6-16-17-11/h5-6,12H,2-4,7-10H2,1H3,(H,16,17)(H2,14,15,19)
InChIKeyMQPMAVFNBRACIS-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.08
Rot. Bonds6

About 1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea

1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea (PubChem CID 71893202) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea
PubChem CID71893202
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea
SMILESCCC(CNC(=O)NCc1ccn[nH]1)N1CCCC1
InChIInChI=1S/C13H23N5O/c1-2-12(18-7-3-4-8-18)10-15-13(19)14-9-11-5-6-16-17-11/h5-6,12H,2-4,7-10H2,1H3,(H,16,17)(H2,14,15,19)
InChIKeyMQPMAVFNBRACIS-UHFFFAOYSA-N
XLogP1.08
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1H-pyrazole
CID 14009816
N'-cyclopentyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)succinamide
CID 46985825
4-(methanesulfonamido)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
CID 53504947
4-ethyl-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
CID 53505648
N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 53506345
4-acetyl-N-(1H-pyrazol-5-ylmethyl)-1,4-diazepane-1-carboxamide
CID 71892814
3-(methanesulfonamido)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
CID 71892816
3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
CID 71892817
1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)urea
CID 71893417
N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide
CID 75420121
1-[1-[(2-Methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one
CID 134790097
bis[(1H-pyrazol-5-yl)methyl]amine
CID 61285482

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea?
The IUPAC name of 1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea (CID 71893202) is 1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea.
What is the SMILES notation for 1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea?
The canonical SMILES for 1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea is CCC(CNC(=O)NCc1ccn[nH]1)N1CCCC1.
What is the InChIKey of 1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea?
The InChIKey is MQPMAVFNBRACIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-12(18-7-3-4-8-18)10-15-13(19)14-9-11-5-6-16-17-11/h5-6,12H,2-4,7-10H2,1H3,(H,16,17)(H2,14,15,19).
What are the key properties of 1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea?
1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea has a molecular weight of 265.36 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea is sourced from PubChem (CID 71893202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).