N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine

C11H21N5 — CID 117038718

IUPACN-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2cc(N)n[nH]2)C1
InChIInChI=1S/C11H21N5/c1-15-5-3-4-10(8-15)16(2)7-9-6-11(12)14-13-9/h6,10H,3-5,7-8H2,1-2H3,(H3,12,13,14)
InChIKeyGGYRFZKATMEJFR-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.52
Rot. Bonds3

About N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine

N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 117038718) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine
PubChem CID117038718
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2cc(N)n[nH]2)C1
InChIInChI=1S/C11H21N5/c1-15-5-3-4-10(8-15)16(2)7-9-6-11(12)14-13-9/h6,10H,3-5,7-8H2,1-2H3,(H3,12,13,14)
InChIKeyGGYRFZKATMEJFR-UHFFFAOYSA-N
XLogP0.52
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[cyclobutylmethyl(methyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038791
N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79583035
N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 55084699
N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79713286
N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 112646134
N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 81117134
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine
CID 117038950
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine
CID 66388844
5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine
CID 115092847
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 102662921
6-methyl-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]pyridin-3-ol
CID 82979829

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine (CID 117038718) is N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)Cc2cc(N)n[nH]2)C1.
What is the InChIKey of N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is GGYRFZKATMEJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-15-5-3-4-10(8-15)16(2)7-9-6-11(12)14-13-9/h6,10H,3-5,7-8H2,1-2H3,(H3,12,13,14).
What are the key properties of N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine?
N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 223.32 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 117038718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).