1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea

C10H17N5O — CID 116658180

IUPAC1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea
SMILESCn1ncc(CN)c1NC(=O)NC1CCC1
InChIInChI=1S/C10H17N5O/c1-15-9(7(5-11)6-12-15)14-10(16)13-8-3-2-4-8/h6,8H,2-5,11H2,1H3,(H2,13,14,16)
InChIKeyBNILULWQTJUWNO-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.55
Rot. Bonds3

About 1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea

1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea (PubChem CID 116658180) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea.

Molecular Properties

Compound Name1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea
PubChem CID116658180
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea
SMILESCn1ncc(CN)c1NC(=O)NC1CCC1
InChIInChI=1S/C10H17N5O/c1-15-9(7(5-11)6-12-15)14-10(16)13-8-3-2-4-8/h6,8H,2-5,11H2,1H3,(H2,13,14,16)
InChIKeyBNILULWQTJUWNO-UHFFFAOYSA-N
XLogP0.55
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
1-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 130652678
N-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide
CID 170457714
4-amino-N-cyclohexyl-1-methylpyrazole-5-carboxamide
CID 65356046
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925
N-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide
CID 170457707
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea
CID 82508319
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610
3-cyclopropyl-N-[[5-(3-cyclopropylpropanoylamino)-1-methylpyrazol-4-yl]methyl]propanamide
CID 71921234
(5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride
CID 171340448
N-cyclopentyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 903286

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea?
The IUPAC name of 1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea (CID 116658180) is 1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea.
What is the SMILES notation for 1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea?
The canonical SMILES for 1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea is Cn1ncc(CN)c1NC(=O)NC1CCC1.
What is the InChIKey of 1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea?
The InChIKey is BNILULWQTJUWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15-9(7(5-11)6-12-15)14-10(16)13-8-3-2-4-8/h6,8H,2-5,11H2,1H3,(H2,13,14,16).
What are the key properties of 1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea?
1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea has a molecular weight of 223.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea is sourced from PubChem (CID 116658180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).