N-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine

C9H17N3 — CID 81011779

IUPACN-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCNCCC(C)c1cnn(C)c1
InChIInChI=1S/C9H17N3/c1-8(4-5-10-2)9-6-11-12(3)7-9/h6-8,10H,4-5H2,1-3H3
InChIKeyGYPMDKYOCOGMBD-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.13
Rot. Bonds4

About N-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine

N-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine (PubChem CID 81011779) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine
PubChem CID81011779
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCNCCC(C)c1cnn(C)c1
InChIInChI=1S/C9H17N3/c1-8(4-5-10-2)9-6-11-12(3)7-9/h6-8,10H,4-5H2,1-3H3
InChIKeyGYPMDKYOCOGMBD-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-5-(1-methylpyrazol-4-yl)pentan-1-amine
CID 103019750
1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine
CID 62461210
N,2-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
CID 43485884
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
N-ethyl-3-(1-propylpyrazol-4-yl)butan-1-amine
CID 81018561
N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 115713690
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine
CID 114246305
2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290422
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
4,4,4-trifluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 81343645

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine (CID 81011779) is N-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine is CNCCC(C)c1cnn(C)c1.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine?
The InChIKey is GYPMDKYOCOGMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8(4-5-10-2)9-6-11-12(3)7-9/h6-8,10H,4-5H2,1-3H3.
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine?
N-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 81011779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).