1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-[3-(diethylaminomethyl)phenyl]-1-methylurea

C20H29N5O — CID 72861499

IUPAC1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-[3-(diethylaminomethyl)phenyl]-1-methylurea
SMILESCCN(CC)Cc1cccc(NC(=O)N(C)Cc2cc(C3CC3)n[nH]2)c1
InChIInChI=1S/C20H29N5O/c1-4-25(5-2)13-15-7-6-8-17(11-15)21-20(26)24(3)14-18-12-19(23-22-18)16-9-10-16/h6-8,11-12,16H,4-5,9-10,13-14H2,1-3H3,(H,21,26)(H,22,23)
InChIKeyYHMSANFHMYOBCB-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.79
Rot. Bonds8

About 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-[3-(diethylaminomethyl)phenyl]-1-methylurea

1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-[3-(diethylaminomethyl)phenyl]-1-methylurea (PubChem CID 72861499) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-[3-(diethylaminomethyl)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-[3-(diethylaminomethyl)phenyl]-1-methylurea
PubChem CID72861499
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-[3-(diethylaminomethyl)phenyl]-1-methylurea
SMILESCCN(CC)Cc1cccc(NC(=O)N(C)Cc2cc(C3CC3)n[nH]2)c1
InChIInChI=1S/C20H29N5O/c1-4-25(5-2)13-15-7-6-8-17(11-15)21-20(26)24(3)14-18-12-19(23-22-18)16-9-10-16/h6-8,11-12,16H,4-5,9-10,13-14H2,1-3H3,(H,21,26)(H,22,23)
InChIKeyYHMSANFHMYOBCB-UHFFFAOYSA-N
XLogP3.79
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea
CID 72933177
N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43711978
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-3-carboxamide
CID 63005422
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017
2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941731
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea
CID 72919468
4-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-N-pyridin-3-ylbenzamide
CID 50966519
2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119852810
N-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide
CID 47033602
N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide
CID 135118861
3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111601451
3-[3-(ethylsulfanylmethyl)phenyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 71982796

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-[3-(diethylaminomethyl)phenyl]-1-methylurea?
The IUPAC name of 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-[3-(diethylaminomethyl)phenyl]-1-methylurea (CID 72861499) is 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-[3-(diethylaminomethyl)phenyl]-1-methylurea.
What is the SMILES notation for 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-[3-(diethylaminomethyl)phenyl]-1-methylurea?
The canonical SMILES for 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-[3-(diethylaminomethyl)phenyl]-1-methylurea is CCN(CC)Cc1cccc(NC(=O)N(C)Cc2cc(C3CC3)n[nH]2)c1.
What is the InChIKey of 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-[3-(diethylaminomethyl)phenyl]-1-methylurea?
The InChIKey is YHMSANFHMYOBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-25(5-2)13-15-7-6-8-17(11-15)21-20(26)24(3)14-18-12-19(23-22-18)16-9-10-16/h6-8,11-12,16H,4-5,9-10,13-14H2,1-3H3,(H,21,26)(H,22,23).
What are the key properties of 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-[3-(diethylaminomethyl)phenyl]-1-methylurea?
1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-[3-(diethylaminomethyl)phenyl]-1-methylurea has a molecular weight of 355.49 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-[3-(diethylaminomethyl)phenyl]-1-methylurea is sourced from PubChem (CID 72861499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).