N,N-dimethyl-1-(3-methyl-5-prop-1-en-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine

C14H24N4 — CID 169145328

IUPACN,N-dimethyl-1-(3-methyl-5-prop-1-en-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine
SMILESC=C(C)N1CCCn2nc(CN(C)C)c(C)c2C1
InChIInChI=1S/C14H24N4/c1-11(2)17-7-6-8-18-14(10-17)12(3)13(15-18)9-16(4)5/h1,6-10H2,2-5H3
InChIKeyPWKOHKISHJBTLX-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.99
Rot. Bonds3

About N,N-dimethyl-1-(3-methyl-5-prop-1-en-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine

N,N-dimethyl-1-(3-methyl-5-prop-1-en-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine (PubChem CID 169145328) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-methyl-5-prop-1-en-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-methyl-5-prop-1-en-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine
PubChem CID169145328
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN,N-dimethyl-1-(3-methyl-5-prop-1-en-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine
SMILESC=C(C)N1CCCn2nc(CN(C)C)c(C)c2C1
InChIInChI=1S/C14H24N4/c1-11(2)17-7-6-8-18-14(10-17)12(3)13(15-18)9-16(4)5/h1,6-10H2,2-5H3
InChIKeyPWKOHKISHJBTLX-UHFFFAOYSA-N
XLogP1.99
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]azepan-3-amine
CID 70757815
2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 99930069
5-Methyl-2-(trifluoromethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 176853008
1-(2-Fluoroethyl)-4-[(1,4,5-trimethylpyrazol-3-yl)methyl]piperazine
CID 142466719
N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine
CID 16672818
N-methyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 56894362
1,4-Diethyl-3,5-dimethyl-1H-pyrazole
CID 45121256
1-Butyl-3,4,5-trimethylpyrazole
CID 57872021
N,N-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 58465256
2-Tert-butyl-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 58540360
N,N-dimethyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine
CID 60982104
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N,N-dimethylethanamine
CID 60982447

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-methyl-5-prop-1-en-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(3-methyl-5-prop-1-en-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine (CID 169145328) is N,N-dimethyl-1-(3-methyl-5-prop-1-en-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(3-methyl-5-prop-1-en-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(3-methyl-5-prop-1-en-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine is C=C(C)N1CCCn2nc(CN(C)C)c(C)c2C1.
What is the InChIKey of N,N-dimethyl-1-(3-methyl-5-prop-1-en-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine?
The InChIKey is PWKOHKISHJBTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)17-7-6-8-18-14(10-17)12(3)13(15-18)9-16(4)5/h1,6-10H2,2-5H3.
What are the key properties of N,N-dimethyl-1-(3-methyl-5-prop-1-en-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine?
N,N-dimethyl-1-(3-methyl-5-prop-1-en-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine has a molecular weight of 248.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-methyl-5-prop-1-en-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine is sourced from PubChem (CID 169145328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).