(4R)-N,N-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-amine

C14H26N4 — CID 124755731

IUPAC(4R)-N,N-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-amine
SMILESCc1ccnn1CCN1CCC[C@@H](N(C)C)CC1
InChIInChI=1S/C14H26N4/c1-13-6-8-15-18(13)12-11-17-9-4-5-14(7-10-17)16(2)3/h6,8,14H,4-5,7,9-12H2,1-3H3/t14-/m1/s1
InChIKeyRATBPGJHDNHATC-CQSZACIVSA-N
MW250.39 g/mol
LogP1.61
Rot. Bonds4

About (4R)-N,N-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-amine

(4R)-N,N-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-amine (PubChem CID 124755731) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is (4R)-N,N-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-amine.

Molecular Properties

Compound Name(4R)-N,N-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-amine
PubChem CID124755731
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name(4R)-N,N-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-amine
SMILESCc1ccnn1CCN1CCC[C@@H](N(C)C)CC1
InChIInChI=1S/C14H26N4/c1-13-6-8-15-18(13)12-11-17-9-4-5-14(7-10-17)16(2)3/h6,8,14H,4-5,7,9-12H2,1-3H3/t14-/m1/s1
InChIKeyRATBPGJHDNHATC-CQSZACIVSA-N
XLogP1.61
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-methylpyrazol-1-yl)ethyl]-4-(thian-4-yl)piperazine
CID 91839725
N,N-dimethyl-2-(2-pyrrolidin-1-ylethyl)pyrazol-3-amine
CID 142163177
1-(2-cyclopentylethyl)-5-methylpyrazole
CID 130479233
[(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124852139
(2S)-1-(cyclopropylmethyl)-4-[2-(5-methylpyrazol-1-yl)ethyl]-2-propan-2-yl-1,4-diazepane
CID 98770542
1-methyl-2-[2-(5-methylpyrazol-1-yl)ethyl]piperidine
CID 107914184
1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 31134485
(4S)-N,N-dimethyl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]azepan-4-amine
CID 95729068
N-cyclopentyl-4-methoxy-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide
CID 154565630
(4S)-N,N-dimethyl-1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]azepan-4-amine
CID 99933542
(4S)-N,N-dimethyl-1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]azepan-4-amine
CID 124854500
1-(aminomethyl)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol
CID 79586964

Frequently Asked Questions

What is the IUPAC name of (4R)-N,N-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-amine?
The IUPAC name of (4R)-N,N-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-amine (CID 124755731) is (4R)-N,N-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-amine.
What is the SMILES notation for (4R)-N,N-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-amine?
The canonical SMILES for (4R)-N,N-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-amine is Cc1ccnn1CCN1CCC[C@@H](N(C)C)CC1.
What is the InChIKey of (4R)-N,N-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-amine?
The InChIKey is RATBPGJHDNHATC-CQSZACIVSA-N. The full InChI is InChI=1S/C14H26N4/c1-13-6-8-15-18(13)12-11-17-9-4-5-14(7-10-17)16(2)3/h6,8,14H,4-5,7,9-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (4R)-N,N-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-amine?
(4R)-N,N-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-amine has a molecular weight of 250.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,N-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-amine is sourced from PubChem (CID 124755731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).