N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine

C9H17N3 — CID 62530457

IUPACN,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNCC(C)Cc1cnn(C)c1
InChIInChI=1S/C9H17N3/c1-8(5-10-2)4-9-6-11-12(3)7-9/h6-8,10H,4-5H2,1-3H3
InChIKeyWEQZQKDQXFVLJS-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.82
Rot. Bonds4

About N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine

N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 62530457) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID62530457
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNCC(C)Cc1cnn(C)c1
InChIInChI=1S/C9H17N3/c1-8(5-10-2)4-9-6-11-12(3)7-9/h6-8,10H,4-5H2,1-3H3
InChIKeyWEQZQKDQXFVLJS-UHFFFAOYSA-N
XLogP0.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62505178
3-methyl-4-(1-methylpyrazol-4-yl)-N-propan-2-ylbutan-1-amine
CID 81020328
2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 79430703
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 62530134
N,3-dimethyl-5-(1-methylpyrazol-4-yl)pentan-1-amine
CID 103019750
N-methyl-2-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62515440
2-methyl-3-(1-methylpyrazol-4-yl)propanal
CID 64666214
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62516241
2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014288
2-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450253
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62515952

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 62530457) is N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine is CNCC(C)Cc1cnn(C)c1.
What is the InChIKey of N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is WEQZQKDQXFVLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8(5-10-2)4-9-6-11-12(3)7-9/h6-8,10H,4-5H2,1-3H3.
What are the key properties of N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 62530457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).