1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole

C12H19N3O — CID 164576587

IUPAC1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole
SMILESc1nn(CC2CC2)cc1OCC1CCNC1
InChIInChI=1S/C12H19N3O/c1-2-10(1)7-15-8-12(6-14-15)16-9-11-3-4-13-5-11/h6,8,10-11,13H,1-5,7,9H2
InChIKeyUNJBATHEDNJVAI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.28
Rot. Bonds5

About 1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole

1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole (PubChem CID 164576587) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole
PubChem CID164576587
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole
SMILESc1nn(CC2CC2)cc1OCC1CCNC1
InChIInChI=1S/C12H19N3O/c1-2-10(1)7-15-8-12(6-14-15)16-9-11-3-4-13-5-11/h6,8,10-11,13H,1-5,7,9H2
InChIKeyUNJBATHEDNJVAI-UHFFFAOYSA-N
XLogP1.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azetidin-3-ylmethyl)-4-ethoxypyrazole
CID 117125073
3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride
CID 164576503
(3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine
CID 165430584
4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine
CID 114608454
4-iodo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 165429519
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 94408772
4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine
CID 115055512
1-(pyrrolidin-3-ylmethyl)-4-[4-(trifluoromethyl)phenoxy]pyrazole
CID 117125078
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole;hydrochloride
CID 165429520
3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol
CID 117230320
3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine
CID 167713436
(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
CID 86321325

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole?
The IUPAC name of 1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole (CID 164576587) is 1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole is c1nn(CC2CC2)cc1OCC1CCNC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole?
The InChIKey is UNJBATHEDNJVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-10(1)7-15-8-12(6-14-15)16-9-11-3-4-13-5-11/h6,8,10-11,13H,1-5,7,9H2.
What are the key properties of 1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole?
1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole has a molecular weight of 221.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole is sourced from PubChem (CID 164576587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).