1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea

C9H17N5O — CID 79523783

IUPAC1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCc1cnn(C)c1N
InChIInChI=1S/C9H17N5O/c1-6(2)13-9(15)11-4-7-5-12-14(3)8(7)10/h5-6H,4,10H2,1-3H3,(H2,11,13,15)
InChIKeyKCEIPXACMZJFEQ-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.21
Rot. Bonds3

About 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea

1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea (PubChem CID 79523783) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea
PubChem CID79523783
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCc1cnn(C)c1N
InChIInChI=1S/C9H17N5O/c1-6(2)13-9(15)11-4-7-5-12-14(3)8(7)10/h5-6H,4,10H2,1-3H3,(H2,11,13,15)
InChIKeyKCEIPXACMZJFEQ-UHFFFAOYSA-N
XLogP0.21
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 79524033
3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea
CID 79524208
N-[(5-amino-1-methylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 79523860
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 79523593
N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 79524532
1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-(3-methylphenyl)urea
CID 79524209
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 79523487
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide
CID 79524373
N-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
CID 79524212
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide
CID 79524022
(2R)-N-[(5-amino-1-methylpyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 104856388
1-[(2-aminophenyl)methyl]-3-propan-2-ylurea
CID 4145188

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea (CID 79523783) is 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea is CC(C)NC(=O)NCc1cnn(C)c1N.
What is the InChIKey of 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea?
The InChIKey is KCEIPXACMZJFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-6(2)13-9(15)11-4-7-5-12-14(3)8(7)10/h5-6H,4,10H2,1-3H3,(H2,11,13,15).
What are the key properties of 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea?
1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea has a molecular weight of 211.27 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 79523783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).