5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine

C7H14N4 — CID 117215911

IUPAC5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine
SMILESCC(C)NCc1cc(N)n[nH]1
InChIInChI=1S/C7H14N4/c1-5(2)9-4-6-3-7(8)11-10-6/h3,5,9H,4H2,1-2H3,(H3,8,10,11)
InChIKeyPGFGNSMAXUAHSK-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.49
Rot. Bonds3

About 5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine

5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine (PubChem CID 117215911) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine
PubChem CID117215911
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine
SMILESCC(C)NCc1cc(N)n[nH]1
InChIInChI=1S/C7H14N4/c1-5(2)9-4-6-3-7(8)11-10-6/h3,5,9H,4H2,1-2H3,(H3,8,10,11)
InChIKeyPGFGNSMAXUAHSK-UHFFFAOYSA-N
XLogP0.49
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 165487946
N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62111524
N-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62113166
N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62113323
N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62111696
5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine
CID 117038615
5-(aminomethyl)-1H-pyrazol-3-amine
CID 83845336
(2S)-2-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]propane-1,2-diamine
CID 104867760
2-(3-amino-1H-pyrazol-5-yl)ethylcarbamic acid
CID 122423938
5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82082161
5-[[cyclobutylmethyl(methyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038791
5-(3,3-difluorobutyl)-1H-pyrazol-3-amine
CID 129066328

Frequently Asked Questions

What is the IUPAC name of 5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine (CID 117215911) is 5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine is CC(C)NCc1cc(N)n[nH]1.
What is the InChIKey of 5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine?
The InChIKey is PGFGNSMAXUAHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-5(2)9-4-6-3-7(8)11-10-6/h3,5,9H,4H2,1-2H3,(H3,8,10,11).
What are the key properties of 5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine?
5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine has a molecular weight of 154.22 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117215911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).