N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine

C13H21N3O2 — CID 82835947

IUPACN,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESc1nn(CC2CCCO2)cc1NCC1CCCO1
InChIInChI=1S/C13H21N3O2/c1-3-12(17-5-1)8-14-11-7-15-16(9-11)10-13-4-2-6-18-13/h7,9,12-14H,1-6,8,10H2
InChIKeyDBQNNZDGJQVLLT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.65
Rot. Bonds5

About N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine

N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 82835947) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID82835947
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESc1nn(CC2CCCO2)cc1NCC1CCCO1
InChIInChI=1S/C13H21N3O2/c1-3-12(17-5-1)8-14-11-7-15-16(9-11)10-13-4-2-6-18-13/h7,9,12-14H,1-6,8,10H2
InChIKeyDBQNNZDGJQVLLT-UHFFFAOYSA-N
XLogP1.65
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide
CID 64992205
1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine
CID 43745591
N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 65082002
N-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide
CID 82836260
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 171607061
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745484
1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine
CID 43745459
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol
CID 66269619
1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 66415350
2-bromo-4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]phenol
CID 63046936

Frequently Asked Questions

What is the IUPAC name of N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine (CID 82835947) is N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine is c1nn(CC2CCCO2)cc1NCC1CCCO1.
What is the InChIKey of N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is DBQNNZDGJQVLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-12(17-5-1)8-14-11-7-15-16(9-11)10-13-4-2-6-18-13/h7,9,12-14H,1-6,8,10H2.
What are the key properties of N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine?
N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 251.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 82835947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).