[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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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).