[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea

C14H19N5O — CID 114555413

IUPAC[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea
SMILESCCCn1nccc1CNc1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H19N5O/c1-2-9-19-13(7-8-17-19)10-16-11-3-5-12(6-4-11)18-14(15)20/h3-8,16H,2,9-10H2,1H3,(H3,15,18,20)
InChIKeyTWWFWXVPQWXNEU-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.40
Rot. Bonds6

About [4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea

[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea (PubChem CID 114555413) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is [4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea.

Molecular Properties

Compound Name[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea
PubChem CID114555413
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea
SMILESCCCn1nccc1CNc1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H19N5O/c1-2-9-19-13(7-8-17-19)10-16-11-3-5-12(6-4-11)18-14(15)20/h3-8,16H,2,9-10H2,1H3,(H3,15,18,20)
InChIKeyTWWFWXVPQWXNEU-UHFFFAOYSA-N
XLogP2.40
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide
CID 114555266
4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 19626118
1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
CID 114555520
2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile
CID 114555253
N-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 114554811
2,6-dichloro-4-[(2-propylpyrazol-3-yl)methylamino]phenol
CID 107679327
1-ethyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
CID 114555517
N-[4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]-2-methoxyacetamide
CID 115761980
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
3-bromo-4-chloro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555926
methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate
CID 114555320
4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
CID 114555070

Frequently Asked Questions

What is the IUPAC name of [4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea?
The IUPAC name of [4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea (CID 114555413) is [4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea.
What is the SMILES notation for [4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea?
The canonical SMILES for [4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea is CCCn1nccc1CNc1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea?
The InChIKey is TWWFWXVPQWXNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-9-19-13(7-8-17-19)10-16-11-3-5-12(6-4-11)18-14(15)20/h3-8,16H,2,9-10H2,1H3,(H3,15,18,20).
What are the key properties of [4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea?
[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea has a molecular weight of 273.34 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea is sourced from PubChem (CID 114555413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).