1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole

C12H17N5 — CID 95730740

IUPAC1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole
SMILESCn1ccnc1CN1CCC[C@H]1c1ccn[nH]1
InChIInChI=1S/C12H17N5/c1-16-8-6-13-12(16)9-17-7-2-3-11(17)10-4-5-14-15-10/h4-6,8,11H,2-3,7,9H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyLPDBHIPVMJNYAT-NSHDSACASA-N
MW231.30 g/mol
LogP1.48
Rot. Bonds3

About 1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole

1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole (PubChem CID 95730740) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole
PubChem CID95730740
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole
SMILESCn1ccnc1CN1CCC[C@H]1c1ccn[nH]1
InChIInChI=1S/C12H17N5/c1-16-8-6-13-12(16)9-17-7-2-3-11(17)10-4-5-14-15-10/h4-6,8,11H,2-3,7,9H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyLPDBHIPVMJNYAT-NSHDSACASA-N
XLogP1.48
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 73439904
4-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 95817567
4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 110254306
1-methyl-4-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 95841750
5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110255983
5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole
CID 110258107
2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124641351
5-methyl-3-[[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 110269409
2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 51260690
2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 95841214
2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine
CID 124993082
1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine
CID 110106146

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole?
The IUPAC name of 1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole (CID 95730740) is 1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole.
What is the SMILES notation for 1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole?
The canonical SMILES for 1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole is Cn1ccnc1CN1CCC[C@H]1c1ccn[nH]1.
What is the InChIKey of 1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole?
The InChIKey is LPDBHIPVMJNYAT-NSHDSACASA-N. The full InChI is InChI=1S/C12H17N5/c1-16-8-6-13-12(16)9-17-7-2-3-11(17)10-4-5-14-15-10/h4-6,8,11H,2-3,7,9H2,1H3,(H,14,15)/t11-/m0/s1.
What are the key properties of 1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole?
1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole has a molecular weight of 231.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole is sourced from PubChem (CID 95730740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).