2-[(1-propylpyrazol-4-yl)methylamino]ethylurea

C10H19N5O — CID 103571628

IUPAC2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
SMILESCCCn1cc(CNCCNC(N)=O)cn1
InChIInChI=1S/C10H19N5O/c1-2-5-15-8-9(7-14-15)6-12-3-4-13-10(11)16/h7-8,12H,2-6H2,1H3,(H3,11,13,16)
InChIKeyWBHGZSMIPSUXQN-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.05
Rot. Bonds7

About 2-[(1-propylpyrazol-4-yl)methylamino]ethylurea

2-[(1-propylpyrazol-4-yl)methylamino]ethylurea (PubChem CID 103571628) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-[(1-propylpyrazol-4-yl)methylamino]ethylurea.

Molecular Properties

Compound Name2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
PubChem CID103571628
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
SMILESCCCn1cc(CNCCNC(N)=O)cn1
InChIInChI=1S/C10H19N5O/c1-2-5-15-8-9(7-14-15)6-12-3-4-13-10(11)16/h7-8,12H,2-6H2,1H3,(H3,11,13,16)
InChIKeyWBHGZSMIPSUXQN-UHFFFAOYSA-N
XLogP0.05
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(1-propylpyrazol-4-yl)methylamino]butanamide
CID 103571480
5-[(1-propylpyrazol-4-yl)methylamino]pentanamide
CID 114161780
tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate
CID 103740168
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide
CID 103571643
1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol
CID 115703165
2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide
CID 103571495
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
(E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine
CID 115632420
4-[(1-ethylpyrazol-4-yl)methylamino]butanamide
CID 62126521
N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine
CID 103701847
3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126966218

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propylpyrazol-4-yl)methylamino]ethylurea?
The IUPAC name of 2-[(1-propylpyrazol-4-yl)methylamino]ethylurea (CID 103571628) is 2-[(1-propylpyrazol-4-yl)methylamino]ethylurea.
What is the SMILES notation for 2-[(1-propylpyrazol-4-yl)methylamino]ethylurea?
The canonical SMILES for 2-[(1-propylpyrazol-4-yl)methylamino]ethylurea is CCCn1cc(CNCCNC(N)=O)cn1.
What is the InChIKey of 2-[(1-propylpyrazol-4-yl)methylamino]ethylurea?
The InChIKey is WBHGZSMIPSUXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-2-5-15-8-9(7-14-15)6-12-3-4-13-10(11)16/h7-8,12H,2-6H2,1H3,(H3,11,13,16).
What are the key properties of 2-[(1-propylpyrazol-4-yl)methylamino]ethylurea?
2-[(1-propylpyrazol-4-yl)methylamino]ethylurea has a molecular weight of 225.30 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propylpyrazol-4-yl)methylamino]ethylurea is sourced from PubChem (CID 103571628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).