(2R)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile

C15H21N5 — CID 96524376

IUPAC(2R)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile
SMILESCn1cc(C[C@@H]2CCN(C[C@H](C#N)CCC#N)C2)cn1
InChIInChI=1S/C15H21N5/c1-19-10-15(9-18-19)7-13-4-6-20(11-13)12-14(8-17)3-2-5-16/h9-10,13-14H,2-4,6-7,11-12H2,1H3/t13-,14-/m0/s1
InChIKeyHQQGKUGFXBWPEJ-KBPBESRZSA-N
MW271.37 g/mol
LogP1.73
Rot. Bonds6

About (2R)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile

(2R)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile (PubChem CID 96524376) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is (2R)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile.

Molecular Properties

Compound Name(2R)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile
PubChem CID96524376
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name(2R)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile
SMILESCn1cc(C[C@@H]2CCN(C[C@H](C#N)CCC#N)C2)cn1
InChIInChI=1S/C15H21N5/c1-19-10-15(9-18-19)7-13-4-6-20(11-13)12-14(8-17)3-2-5-16/h9-10,13-14H,2-4,6-7,11-12H2,1H3/t13-,14-/m0/s1
InChIKeyHQQGKUGFXBWPEJ-KBPBESRZSA-N
XLogP1.73
TPSA68.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 100860920
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol
CID 111565328
1-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 111565334
(2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile
CID 97011968
(2R)-2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 97008172
5-[[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyridine
CID 75496992
2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile
CID 103002523
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133341927
(2R)-2-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 97074799
(2S)-2-[[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 100858845
2-(chloromethyl)-4-(1-methylpyrazol-4-yl)butanenitrile
CID 103015098

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile?
The IUPAC name of (2R)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile (CID 96524376) is (2R)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile.
What is the SMILES notation for (2R)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile?
The canonical SMILES for (2R)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile is Cn1cc(C[C@@H]2CCN(C[C@H](C#N)CCC#N)C2)cn1.
What is the InChIKey of (2R)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile?
The InChIKey is HQQGKUGFXBWPEJ-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21N5/c1-19-10-15(9-18-19)7-13-4-6-20(11-13)12-14(8-17)3-2-5-16/h9-10,13-14H,2-4,6-7,11-12H2,1H3/t13-,14-/m0/s1.
What are the key properties of (2R)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile?
(2R)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile has a molecular weight of 271.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile is sourced from PubChem (CID 96524376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).