1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,7-trimethyl-1,4-diazepane

C17H30N4 — CID 64870597

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,7-trimethyl-1,4-diazepane
SMILESCC1CCNC(C)(C)CN1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H30N4/c1-14-8-10-18-17(2,3)13-20(14)12-15-9-11-21(19-15)16-6-4-5-7-16/h9,11,14,16,18H,4-8,10,12-13H2,1-3H3
InChIKeyBPAYYDLJXJJEHB-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.96
Rot. Bonds3

About 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,7-trimethyl-1,4-diazepane

1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,7-trimethyl-1,4-diazepane (PubChem CID 64870597) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,7-trimethyl-1,4-diazepane.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,7-trimethyl-1,4-diazepane
PubChem CID64870597
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,7-trimethyl-1,4-diazepane
SMILESCC1CCNC(C)(C)CN1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H30N4/c1-14-8-10-18-17(2,3)13-20(14)12-15-9-11-21(19-15)16-6-4-5-7-16/h9,11,14,16,18H,4-8,10,12-13H2,1-3H3
InChIKeyBPAYYDLJXJJEHB-UHFFFAOYSA-N
XLogP2.96
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,5,5-tetramethylpiperazine
CID 64838373
3,3,7-trimethyl-1-[(4-methylphenyl)methyl]-1,4-diazepane
CID 64869807
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-ethyl-2-methylpiperazine
CID 64845208
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 64833588
3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64870204
9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64833663
(3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 104975598
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one
CID 64777103
3,3,7-trimethyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
CID 64869207
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81002641
[4-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81218906
5-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209789

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,7-trimethyl-1,4-diazepane?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,7-trimethyl-1,4-diazepane (CID 64870597) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,7-trimethyl-1,4-diazepane.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,7-trimethyl-1,4-diazepane?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,7-trimethyl-1,4-diazepane is CC1CCNC(C)(C)CN1Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,7-trimethyl-1,4-diazepane?
The InChIKey is BPAYYDLJXJJEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-14-8-10-18-17(2,3)13-20(14)12-15-9-11-21(19-15)16-6-4-5-7-16/h9,11,14,16,18H,4-8,10,12-13H2,1-3H3.
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,7-trimethyl-1,4-diazepane?
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,7-trimethyl-1,4-diazepane has a molecular weight of 290.45 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,7-trimethyl-1,4-diazepane is sourced from PubChem (CID 64870597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).