3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine

C9H15N7 — CID 107462626

IUPAC3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1nnn(C)n1
InChIInChI=1S/C9H15N7/c1-4-7-8(6-15(2)12-7)10-5-9-11-14-16(3)13-9/h6,10H,4-5H2,1-3H3
InChIKeyGEFZNTLGWYTMBO-UHFFFAOYSA-N
MW221.27 g/mol
LogP0.12
Rot. Bonds4

About 3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine

3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine (PubChem CID 107462626) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
PubChem CID107462626
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1nnn(C)n1
InChIInChI=1S/C9H15N7/c1-4-7-8(6-15(2)12-7)10-5-9-11-14-16(3)13-9/h6,10H,4-5H2,1-3H3
InChIKeyGEFZNTLGWYTMBO-UHFFFAOYSA-N
XLogP0.12
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107042771
3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine
CID 115897990
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
3-ethyl-1-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine
CID 115898042
3-ethyl-1-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-amine
CID 103909014
3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 103909181
(3-ethyl-1-methylpyrazol-4-yl)thiourea
CID 107462555
3-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468
N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 107462384
N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909171
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064883

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine (CID 107462626) is 3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine is CCc1nn(C)cc1NCc1nnn(C)n1.
What is the InChIKey of 3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine?
The InChIKey is GEFZNTLGWYTMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c1-4-7-8(6-15(2)12-7)10-5-9-11-14-16(3)13-9/h6,10H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine?
3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine has a molecular weight of 221.27 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 107462626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).