N,N,4-trimethyl-1-propylpyrazol-5-amine

C9H17N3 — CID 123221534

IUPACN,N,4-trimethyl-1-propylpyrazol-5-amine
SMILESCCCn1ncc(C)c1N(C)C
InChIInChI=1S/C9H17N3/c1-5-6-12-9(11(3)4)8(2)7-10-12/h7H,5-6H2,1-4H3
InChIKeyKBVCGRVEXFXGCY-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.67
Rot. Bonds3

About N,N,4-trimethyl-1-propylpyrazol-5-amine

N,N,4-trimethyl-1-propylpyrazol-5-amine (PubChem CID 123221534) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N,N,4-trimethyl-1-propylpyrazol-5-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-propylpyrazol-5-amine
PubChem CID123221534
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN,N,4-trimethyl-1-propylpyrazol-5-amine
SMILESCCCn1ncc(C)c1N(C)C
InChIInChI=1S/C9H17N3/c1-5-6-12-9(11(3)4)8(2)7-10-12/h7H,5-6H2,1-4H3
InChIKeyKBVCGRVEXFXGCY-UHFFFAOYSA-N
XLogP1.67
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-cyano-1-methyl-1H-pyrazol-5-yl)-N,N-dimethyliminoformamide
CID 9581717
1,5-Dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-imine
CID 234520
4-Methyl-2-(1-methyl-piperidin-4-yl)-2H-pyrazol-3-ylamine
CID 645994
1-methyl-5-{[(4-methyl-1-piperazinyl)methylene]amino}-1H-pyrazole-4-carbonitrile
CID 9587693
1,4-Dimethyl-1H-pyrazol-5-amine
CID 12847948
1-Butyl-4-Methyl-1H-Pyrazol-5-Amine
CID 21455559
1-Ethyl-4-methyl-1H-pyrazol-5-amine
CID 22456658
1,4-dimethyl-1H-pyrazol-5-amine hydrochloride
CID 23330507
1-Cyclopentyl-4-methyl-1H-pyrazol-5-amine
CID 28063967
4-methyl-1-(propan-2-yl)-1H-pyrazol-5-amine
CID 29060602
1-(tert-butyl)-4-methyl-1H-pyrazol-5-amine
CID 72211777
1,4-Dimethyl-1H-pyrazol-3-amine
CID 12847949

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-propylpyrazol-5-amine?
The IUPAC name of N,N,4-trimethyl-1-propylpyrazol-5-amine (CID 123221534) is N,N,4-trimethyl-1-propylpyrazol-5-amine.
What is the SMILES notation for N,N,4-trimethyl-1-propylpyrazol-5-amine?
The canonical SMILES for N,N,4-trimethyl-1-propylpyrazol-5-amine is CCCn1ncc(C)c1N(C)C.
What is the InChIKey of N,N,4-trimethyl-1-propylpyrazol-5-amine?
The InChIKey is KBVCGRVEXFXGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-6-12-9(11(3)4)8(2)7-10-12/h7H,5-6H2,1-4H3.
What are the key properties of N,N,4-trimethyl-1-propylpyrazol-5-amine?
N,N,4-trimethyl-1-propylpyrazol-5-amine has a molecular weight of 167.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-propylpyrazol-5-amine is sourced from PubChem (CID 123221534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).